3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide

C16H16ClNO2S — CID 51891452

IUPAC3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESO=C(CCSc1ccccc1Cl)Nc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-1-2-7-15(14)21-9-8-16(20)18-13-5-3-4-12(10-13)11-19/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyCZKXDNRKODHDMW-UHFFFAOYSA-N
MW321.83 g/mol
LogP3.95
Rot. Bonds6

About 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide

3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide (PubChem CID 51891452) has the molecular formula C16H16ClNO2S and a molecular weight of 321.83 g/mol. Its IUPAC name is 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
PubChem CID51891452
Molecular FormulaC16H16ClNO2S
Molecular Weight321.83 g/mol
Exact Mass321.06
IUPAC Name3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide
SMILESO=C(CCSc1ccccc1Cl)Nc1cccc(CO)c1
InChIInChI=1S/C16H16ClNO2S/c17-14-6-1-2-7-15(14)21-9-8-16(20)18-13-5-3-4-12(10-13)11-19/h1-7,10,19H,8-9,11H2,(H,18,20)
InChIKeyCZKXDNRKODHDMW-UHFFFAOYSA-N
XLogP3.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(carbamoylamino)phenyl]-3-(2-chlorophenyl)sulfanylpropanamide
CID 36823003
methyl 3-[3-(2-chlorophenyl)sulfanylpropanoylamino]benzoate
CID 26240686
3-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N,N-dimethylbenzamide
CID 29331343
N-(4-aminophenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 28534611
2-chloro-N-[3-[3-(hydroxymethyl)anilino]-3-oxopropyl]benzamide
CID 9300768
N-[4-[3-(2-chlorophenyl)sulfanylpropanoylamino]phenyl]-3-methylbutanamide
CID 33026059
N-(4-acetylphenyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 26665399
3-(2-aminophenyl)sulfanyl-N-(3-chlorophenyl)propanamide
CID 43249034
4-[3-(2-chlorophenyl)sulfanylpropanoylamino]-N-methylbenzamide
CID 26679666
[2-(3-acetylanilino)-2-oxoethyl] 3-(2-chlorophenyl)sulfanylpropanoate
CID 18293226
(2S)-2-[3-(2-chlorophenyl)sulfanylpropanoylamino]butanedioic acid
CID 112733017
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide (CID 51891452) is 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide is O=C(CCSc1ccccc1Cl)Nc1cccc(CO)c1.
What is the InChIKey of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
The InChIKey is CZKXDNRKODHDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO2S/c17-14-6-1-2-7-15(14)21-9-8-16(20)18-13-5-3-4-12(10-13)11-19/h1-7,10,19H,8-9,11H2,(H,18,20).
What are the key properties of 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide?
3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide has a molecular weight of 321.83 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)sulfanyl-N-[3-(hydroxymethyl)phenyl]propanamide is sourced from PubChem (CID 51891452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).